N-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-purin-6-yl]-N-ethyl-benzamide

Systemtic Name: N-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-purin-6-yl]-N-ethyl-benzamide Openeye Name: N-[3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-purin-6-yl]-N-ethyl-benzamide CAS Name: N-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-6-purinyl]-N-ethylbenzamide IUPAC Name: N-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-ylpurin-6-yl]-N-ethylbenzamide Traditional Name: N-[3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-purin-6-yl]-N-ethyl-benzamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCN(C1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H35N5O3/c1-5-35(30(36)22-11-7-6-8-12-22)28-26-29(33-27(32-26)20(2)3)34(19-31-28)18-21-15-16-24(37-4)25(17-21)38-23-13-9-10-14-23/h6-8,11-12,15-17,19-20,23H,5,9-10,13-14,18H2,1-4H3